0 B10R1.475 CCC1(CC(=O)N=C1O)C PH001065 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.22 CCC1CC(=O)NN1C PH013333 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.22 CCC1SC(=NC1=O)N PH012610 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.22 CNC1CC(=O)NC1=O PH018276 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.22 O=C1NC(=O)[C@@H](N1)CO PH011479 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.38 CC1(OC(=S)NC1=O)C S630373 [1,0,0,0,0,0|1,1,0]=3 6 B9R1.38 CC1CC(C(=O)O1)(C)C PH002288 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.38 N1C(=O)C(CC1C)(C)C S950912 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.38 N1C(=O)CC(C1=O)(C)C S950858 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.202 C[C@@]1(CCCC1=O)CO T218286 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.1050 CCC1(NC(=O)NC1=O)CC T323802 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.63 C#CC(C)(CC)OC(=O)N PH007287 [0,0,1,0,0,0|2,0,1]=4 12 B9R0.63 CCC(C)(CC)OC(=O)N PH005006 [0,0,1,0,0,0|2,0,1]=4 13 B11R2.9 C[C@]12CCCC1=CC(=O)C2 T202371 [0,0,0,1,0,0|2,0,0]=3 14 B8R0.13 CNC(=O)C(C)(C)NC CDS021433 [1,0,1,0,0,0|1,0,1]=4 15 B8R0.5 CCCC(=O)CC(=O)C S839566 [1,0,1,0,0,0|1,0,0]=3 16 B8R0.5 CCOC(=O)CC(=O)C S813079 [1,0,1,0,0,0|2,0,0]=4 17 B8R0.5 CCOC(=O)NC(=O)C S357308 [1,0,1,0,0,0|1,0,0]=3 18 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [1,0,1,0,0,0|1,0,0]=3 19 B8R0.19 CCC(C)NC(=O)NC S724750 [1,0,1,0,0,0|1,0,1]=4 20 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [1,0,1,0,0,0|1,0,1]=4 21 B8R0.12 C=CCC(C)(C)C(=O)C T292311 [1,0,1,0,0,0|2,0,0]=4 22 B8R0.36 CCC(Cl)(CC)C(=O)N PH007093 [1,0,1,0,0,0|1,0,1]=4 23 B8R0.36 CCC(N)(CC)C(=O)N PH012935 [1,0,1,0,0,0|1,0,1]=4 24 B8R1.1 CCC1CNC(=O)C1 CBR00057 [2,0,0,0,0,0|0,0,1]=3 25 B8R1.1 O=C1CC(CN1)CO CDS002555 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.11 CCC1CCNC1=O CBR01663 [2,0,0,0,0,0|0,0,1]=3 27 B8R1.18 CC1=CC(=O)NC1=O PH010527 [2,0,0,0,0,0|0,0,2]=4 28 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.51 CC1(CNC(=O)O1)C T283703 [2,0,0,0,0,0|1,0,1]=4 30 B10R0.144 CCN(CC)C(=O)CC(=O)C S407623 [0,1,1,0,0,0|2,0,0]=4 31 B10R1.34 CCC1SC(=S)N(C1=O)C PH004885 [1,1,0,0,0,0|1,1,0]=4 32 B10R1.59 CC(C)C1NC(=S)NC1=O PH009420 [1,1,0,0,0,0|1,1,0]=4 33 B10R1.59 N1C(=O)NC(=O)C1C(C)C S351733 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.130 C#CCC1CC(=O)OC1=O PH009041 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.130 C=CCC1CC(=O)OC1=O CDS000319 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.130 C=CCN1CC(=O)NC1=O PH011349 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.256 CCN1C(=O)NC(=O)C1=O PH016115 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.271 CN1C(=O)NC(C1=O)(C)C PH005107 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.271 N1C(=S)N(C(=O)C1(C)C)C S275166 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.560 CC1(CC(C(=O)N1)(C)C)O PH007318 [1,1,0,0,0,0|0,0,2]=4 41 B10R1.560 CC1(CS(=O)(=O)OC1=O)C PH007167 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.3817 CCC1(COC(=O)NC1=O)CC PH003140 [0,1,0,0,0,1|0,0,0]=2 43 B12R1.3839 CCC1(C(=O)N(C(=O)N1Br)Br)C S775991 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.3839 CCC1(C(=O)N(C(=O)N1Br)C)C S778133 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.3826 CCC1(NC(=O)NC1=O)C(Br)Br S612553 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.857 CC(C)CC1(NC(=O)NC1=O)C PH011194 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.63 CC1(CNC(=O)NC1=O)Br S571385 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.25 CCN1CCC(=O)NC1=O S932698 [0,0,1,1,0,0|1,0,0]=3 49 B10R1.266 CC(=O)CC(=O)C1CCC1 SYX00422 [0,0,1,1,0,0|1,0,0]=3 50 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,0,1,1,0,0|1,0,0]=3 51 B10R1.8 CCC1CC(=O)CC(=O)C1 CDS014187 [0,0,1,1,0,0|1,0,0]=3 52 B10R1.363 CC1(CCCNC1)C(=O)N CBR02426 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.363 CC1(CCNCC1)C(=O)N CBR01691 [0,0,1,1,0,0|1,0,1]=4 54 B10R2.42 O=C1OC(=O)C2C1CC2 T169056 [1,0,0,1,0,0|1,0,0]=3 55 B10R2.42 [C@H]12CC[C@H]1C(=O)OC2=O T181250 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,0,0,1,0,1|1,0,0]=3 57 B12R2.3892 CC1=C2CCC[C@]2(CC1=O)C T202282 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.783 N1C(=O)NC(=O)C12CCCC2 S355909 [0,1,0,1,0,0|1,0,0]=3 59 B12R2.783 O=C1CC2(CCCC2)C(=O)N1 T311030 [0,1,0,1,0,0|0,0,0]=2 60 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,0,1,0,1,0|1,0,0]=3 61 B8R0.2 CCC(C)C(=O)C(C)C S431117 [0,0,1,0,1,0|1,0,1]=4 62 B10R1.30 O=C1CNC(=O)[C@@H](N1)CO CDS010410 [1,0,0,0,0,1|2,0,0]=4 63 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [1,0,0,0,0,1|2,0,0]=4 64 B10R1.329 CC1=NC(=O)NC(C1)(C)C S756296 [1,0,0,0,0,1|1,0,1]=4